(5E)-3-benzyl-5-[[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C23H15N2O3BrS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-3-benzyl-5-[[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5E)-3-benzyl-5-[[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C23H15N2O3BrS3
Smiles	[O-][N+](c(cc(/C=C(\C(N1Cc2ccccc2)=O)/SC1=S)cc1)c1Sc(cc1)ccc1Br)=O
InChI	InChI=1S/C23H15BrN2O3S3/c24-17-7-9-18(10-8-17)31-20-11-6-16(12-19(20)26(28)29)13-21-22(27)25(23(30)32-21)14-15-4-2-1-3-5-15/h1-13H,14H2
InChIK	YJVSXCCJEUQSBG-UHFFFAOYSA-N
TotalMolweight	543.485
Molweight	543.485
MonoisotopicMass	541.942814
CLogP	4.4399
CLogS	-7.541
H Acceptors	5
TotalSurfaceArea	355.79
Relative PSA	0.30914
PolarSurfaceArea	148.82
Druglikeness	-2.8913
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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1 - (5E)-3-benzyl-5-[[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-benzyl-5-[[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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